N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-2-propoxybenzamide

C19H23NO5S — CID 665645

IUPACN-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)N(Cc1ccco1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H23NO5S/c1-2-10-25-18-8-4-3-7-17(18)19(21)20(13-16-6-5-11-24-16)15-9-12-26(22,23)14-15/h3-8,11,15H,2,9-10,12-14H2,1H3
InChIKeySTRQNYLPBSAHGW-UHFFFAOYSA-N
MW377.46 g/mol
LogP2.90
Rot. Bonds7

About N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-2-propoxybenzamide

N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-2-propoxybenzamide (PubChem CID 665645) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-2-propoxybenzamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-2-propoxybenzamide
PubChem CID665645
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)N(Cc1ccco1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H23NO5S/c1-2-10-25-18-8-4-3-7-17(18)19(21)20(13-16-6-5-11-24-16)15-9-12-26(22,23)14-15/h3-8,11,15H,2,9-10,12-14H2,1H3
InChIKeySTRQNYLPBSAHGW-UHFFFAOYSA-N
XLogP2.90
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-3-(furan-2-yl)prop-2-enamide
CID 5975659
(2E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(furan-2-yl)-N-(4-methoxybenzyl)prop-2-enamide
CID 6049421
4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-methoxypropyl)benzamide
CID 6488404
N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 662928
N-(1,1-dioxidotetrahydrothien-3-yl)-N-(2-furylmethyl)-2-methoxybenzamide
CID 664384
N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-ethoxy-N-(furan-2-ylmethyl)benzamide
CID 664684
N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-propoxy-N-(thiophen-2-ylmethyl)benzamide
CID 665548
N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-ethoxy-N-(furan-2-ylmethyl)benzamide
CID 665764
6-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(furan-2-ylmethyl)-7-methyl-4-oxo-4H-chromene-2-carboxamide
CID 666906
N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 2990516
N-[1-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 2998976
[2-(Furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]-4-methylsulfanylbutanoate
CID 2999782

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-2-propoxybenzamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-2-propoxybenzamide (CID 665645) is N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-2-propoxybenzamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-2-propoxybenzamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-2-propoxybenzamide is CCCOc1ccccc1C(=O)N(Cc1ccco1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-2-propoxybenzamide?
The InChIKey is STRQNYLPBSAHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-2-10-25-18-8-4-3-7-17(18)19(21)20(13-16-6-5-11-24-16)15-9-12-26(22,23)14-15/h3-8,11,15H,2,9-10,12-14H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-2-propoxybenzamide?
N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-2-propoxybenzamide has a molecular weight of 377.46 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-2-propoxybenzamide is sourced from PubChem (CID 665645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).